7LAJ

Crystal structure of the first bromodomain (BD1) of human BRD2 bound to Ro3280

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2019-02-05
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	53.920, 82.670, 45.200
Unit cell angles	90.00, 134.33, 90.00

Refinement procedure

Resolution	39.091 - 1.854
R-factor	0.1664
Rwork	0.164
R-free	0.21190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7lah
Data reduction software	PROTEUM PLUS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.091	39.091	1.900
High resolution limit [Å]	1.850	8.290	1.850
Rmerge	0.028	0.020	0.153
Rmeas	0.033	0.024	0.195
Total number of observations	41685
Number of reflections	11663	136	696
<I/σ(I)>	28.12	50.7	5.25
Completeness [%]	95.5	91.3	77.3
Redundancy	3.574	3.412	1.994
CC(1/2)	0.999	0.999	0.969

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	60 % v/v Tacsimate pH 7.0